Primary irradiation damage in Ni-graphene nanocomposites with pre- existing hydrogen: insights from atomistic simulations

TH Liu and XT Yuan and H Huang, EUROPEAN PHYSICAL JOURNAL PLUS, 139, 22 (2024).

DOI: 10.1140/epjp/s13360-023-04812-6

Nickel-graphene nanocomposites have been identified as promising candidates for Gen-IV nuclear reactors due to their potential to withstand irradiation damage and hydrogen embrittlement. However, there is currently limited understanding of the synergistic mechanisms between irradiation-induced defects and hydrogen in these composites. This study employs atomistic simulations to investigate the impact of Ni-graphene interfaces on the interaction between irradiation-induced defects and hydrogen, focusing on variables like cascade-interface distance, cascade energy, hydrogen concentration, and ambient temperature. The findings consistently reveal a lower presence of residual irradiated defects in hydrogen-rich composites compared to single-crystal Ni, underscoring the interface's efficacy as a defect trapping site. Furthermore, the composite system yields a notably reduced variety and quantity of hydrogen-related clusters compared to single-crystal Ni, indicating a milder level of damage in the composites. These results contribute to the potential application of Ni-graphene nanocomposites as materials resistant to irradiation and hydrogen effects in advanced nuclear reactors.

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